2,6-diaminonaphthalene-1-carboxylic acid

C11H10N2O2 — CID 45089629

IUPAC2,6-diaminonaphthalene-1-carboxylic acid
SMILESNc1ccc2c(C(=O)O)c(N)ccc2c1
InChIInChI=1S/C11H10N2O2/c12-7-2-3-8-6(5-7)1-4-9(13)10(8)11(14)15/h1-5H,12-13H2,(H,14,15)
InChIKeyDLYIOFDTYNMAJY-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.70
Rot. Bonds1

About 2,6-diaminonaphthalene-1-carboxylic acid

2,6-diaminonaphthalene-1-carboxylic acid (PubChem CID 45089629) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2,6-diaminonaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2,6-diaminonaphthalene-1-carboxylic acid
PubChem CID45089629
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2,6-diaminonaphthalene-1-carboxylic acid
SMILESNc1ccc2c(C(=O)O)c(N)ccc2c1
InChIInChI=1S/C11H10N2O2/c12-7-2-3-8-6(5-7)1-4-9(13)10(8)11(14)15/h1-5H,12-13H2,(H,14,15)
InChIKeyDLYIOFDTYNMAJY-UHFFFAOYSA-N
XLogP1.70
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,6-diaminonaphthalene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-diaminonaphthalene-2-carboxylic acid
CID 23293419
hexahelicene-3,14-diamine
CID 102491196
2-aminoacridine-1-carboxylic acid
CID 122423819
5,6-diaminonaphthalene-1,2,3,4-tetracarboxylic acid
CID 137331715
3-amino-2-methylnaphthalene-1-carboxylic acid
CID 154166226
6-amino-2-oxo-1H-quinoline-5-carboxylic acid
CID 63240224
2,6-dihydroxynaphthalene-1-carboxylic acid
CID 10149075
6-amino-2-methyl-1-benzofuran-7-carboxylic acid
CID 163960156
pyrene-1,2,6,7-tetracarboxylic acid
CID 19093279
2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride
CID 68837450
6-bromonaphthalene-1,2-dicarboxylic acid
CID 90010448
7-aminoisoquinoline-3-carboxylic acid
CID 130056021

Frequently Asked Questions

What is the IUPAC name of 2,6-diaminonaphthalene-1-carboxylic acid?
The IUPAC name of 2,6-diaminonaphthalene-1-carboxylic acid (CID 45089629) is 2,6-diaminonaphthalene-1-carboxylic acid.
What is the SMILES notation for 2,6-diaminonaphthalene-1-carboxylic acid?
The canonical SMILES for 2,6-diaminonaphthalene-1-carboxylic acid is Nc1ccc2c(C(=O)O)c(N)ccc2c1.
What is the InChIKey of 2,6-diaminonaphthalene-1-carboxylic acid?
The InChIKey is DLYIOFDTYNMAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-7-2-3-8-6(5-7)1-4-9(13)10(8)11(14)15/h1-5H,12-13H2,(H,14,15).
What are the key properties of 2,6-diaminonaphthalene-1-carboxylic acid?
2,6-diaminonaphthalene-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminonaphthalene-1-carboxylic acid is sourced from PubChem (CID 45089629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).